| SpectraBase Spectrum ID |
2R1pDeLgYTy |
| Name |
2,4-Dinitrophenyl-dl-alanyl-dl-valine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.117548929 u |
| Formula |
C14H18N4O7 |
| InChI |
InChI=1S/C14H18N4O7/c1-7(2)12(14(20)21)16-13(19)8(3)15-10-5-4-9(17(22)23)6-11(10)18(24)25/h4-8,12,15H,1-3H3,(H,16,19)(H,20,21) |
| InChIKey |
AOOWKXWBKCDPPW-UHFFFAOYSA-N |
| Molecular Weight |
354.319 g/mol |
| SMILES |
C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)NC(C(NC(C(O)=O)C(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924207 |
